[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]methanone Formula: C28H38N3O+ MolecularWeight: 432.62082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC(=CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH+](CC3)C/C(=C/C4=CC=CC=C4)/C)C

InChI

InChI=1S/C28H37N3O/c1-22(20-25-9-5-4-6-10-25)21-29-14-12-26(13-15-29)28(32)31-18-16-30(17-19-31)27-11-7-8-23(2)24(27)3/h4-11,20,26H,12-19,21H2,1-3H3/p+1/b22-20+